Task 38685036

Name test_63-GPUGRID_TEST_ATM_40STEP_20261023-23-40-RND3110_0
Workunit 31626525
Created 27 Oct 2026, 19:04:32 UTC
Sent 27 Oct 2026, 19:04:38 UTC
Report deadline 1 Nov 2026, 19:04:38 UTC
Received 27 Oct 2026, 22:07:03 UTC
Server state Over
Outcome Success
Client state Done
Exit status 0 (0x00000000)
Computer ID 617005
Run time 58 min 16 sec
CPU time 49 min 36 sec
Validate state Valid
Credit 60,000.00
Device peak FLOPS 9,204.26 GFLOPS
Application version ATM: Free energy calculations of protein-ligand binding v1.20 (cuda1121)
windows_x86_64
Peak working set size 673.22 MB
Peak swap size 2.25 GB
Peak disk usage 3.02 GB

Stderr output

<core_client_version>8.2.11</core_client_version>
<![CDATA[
<stderr_txt>
00:05:58 (7324): wrapper (7.9.26016): starting
00:05:58 (7324): wrapper: running Library/usr/bin/tar.exe (xjvf input.tar.bz2)
QB_A34_A12_0.pdb
QB_A34_A12_0.xml
QB_A34_A12_input.yaml
QB_A34_A12.pdb
QB_A34_A12.prmtop
QB_A34_A12_sys.xml
run.bat
run.sh
00:06:01 (7324): Library/usr/bin/tar.exe exited; CPU time 0.015625
00:06:01 (7324): wrapper: running C:/Windows/system32/cmd.exe (/c call Scripts\activate.bat && Scripts\conda-unpack.exe && run.bat)
  WARNING: The script pyaml.exe is installed in 'D:\BOINC\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
  WARNING: The scripts abfe_production.exe, abfe_structprep.exe, make_atm_system_from_amber.exe, make_atm_system_from_pdb.exe, make_atm_system_from_rcpt_lig.exe, rbfe_production.exe and rbfe_structprep.exe are installed in 'D:\BOINC\slots\1\Scripts' which is not on PATH.
  Consider adding this directory to PATH or, if you prefer to suppress this warning, use --no-warn-script-location.
Warning: importing 'simtk.openmm' is deprecated.  Import 'openmm' instead.
tar: run.log: file changed as we read it
tar: r*/*.dcd: Cannot stat: No such file or directory
tar: r*/*.xtc: Cannot stat: No such file or directory
tar: Exiting with failure status due to previous errors
01:02:40 (7324): C:/Windows/system32/cmd.exe exited; CPU time 2976.093750
01:02:40 (7324): called boinc_finish(0)
0 bytes in 0 Free Blocks.
576 bytes in 8 Normal Blocks.
1144 bytes in 1 CRT Blocks.
0 bytes in 0 Ignore Blocks.
0 bytes in 0 Client Blocks.
Largest number used: 0 bytes.
Total allocations: 53135333 bytes.
Dumping objects ->
{3835529} normal block at 0x0000017C565B1120, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835518} normal block at 0x0000017C58065B30, 32 bytes long.
 Data: <HOME=D:\BOINC\sl> 48 4F 4D 45 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835507} normal block at 0x0000017C58065AD0, 32 bytes long.
 Data: <TMP=D:\BOINC\slo> 54 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 6F 
{3835496} normal block at 0x0000017C58065B90, 32 bytes long.
 Data: <TEMP=D:\BOINC\sl> 54 45 4D 50 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835485} normal block at 0x0000017C58065BF0, 32 bytes long.
 Data: <TMPDIR=D:\BOINC\> 54 4D 50 44 49 52 3D 44 3A 5C 42 4F 49 4E 43 5C 
{3835454} normal block at 0x0000017C565B1040, 48 bytes long.
 Data: <PATH=D:\BOINC\sl> 50 41 54 48 3D 44 3A 5C 42 4F 49 4E 43 5C 73 6C 
{3835443} normal block at 0x0000017C565A9650, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
..\api\boinc_api.cpp(309) : {3835440} normal block at 0x0000017C565A6DC0, 8 bytes long.
 Data: <  OV|   > 00 00 4F 56 7C 01 00 00 
{3834685} normal block at 0x0000017C565AA200, 200 bytes long.
 Data: <<project_prefere> 3C 70 72 6F 6A 65 63 74 5F 70 72 65 66 65 72 65 
{3833943} normal block at 0x0000017C565A75E0, 8 bytes long.
 Data: <PP X|   > 50 50 0B 58 7C 01 00 00 
..\zip\boinc_zip.cpp(122) : {303} normal block at 0x0000017C565B1E80, 260 bytes long.
 Data: <                > 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 00 
{288} normal block at 0x0000017C56595F20, 80 bytes long.
 Data: </c call Scripts\> 2F 63 20 63 61 6C 6C 20 53 63 72 69 70 74 73 5C 
{287} normal block at 0x0000017C565B3320, 16 bytes long.
 Data: <x?[V|           > 78 3F 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{286} normal block at 0x0000017C565B2EC0, 16 bytes long.
 Data: <P?[V|           > 50 3F 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{285} normal block at 0x0000017C565AC620, 32 bytes long.
 Data: <r0/checkpoint.xm> 72 30 2F 63 68 65 63 6B 70 6F 69 6E 74 2E 78 6D 
{284} normal block at 0x0000017C565B35F0, 16 bytes long.
 Data: <(?[V|           > 28 3F 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{283} normal block at 0x0000017C565B3AF0, 16 bytes long.
 Data: < ?[V|           > 00 3F 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{282} normal block at 0x0000017C565B2DD0, 16 bytes long.
 Data: <&#216;>[V|           > D8 3E 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{281} normal block at 0x0000017C565B3A50, 16 bytes long.
 Data: <&#176;>[V|           > B0 3E 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{280} normal block at 0x0000017C565B1190, 48 bytes long.
 Data: <ComSpec=C:\Windo> 43 6F 6D 53 70 65 63 3D 43 3A 5C 57 69 6E 64 6F 
{279} normal block at 0x0000017C565B39B0, 16 bytes long.
 Data: <&#184;^YV|           > B8 5E 59 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{278} normal block at 0x0000017C565AC5C0, 32 bytes long.
 Data: <SystemRoot=C:\Wi> 53 79 73 74 65 6D 52 6F 6F 74 3D 43 3A 5C 57 69 
{277} normal block at 0x0000017C565B3AA0, 16 bytes long.
 Data: <&#144;^YV|           > 90 5E 59 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{275} normal block at 0x0000017C565B3960, 16 bytes long.
 Data: <h^YV|           > 68 5E 59 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{274} normal block at 0x0000017C565B31E0, 16 bytes long.
 Data: <@^YV|           > 40 5E 59 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{273} normal block at 0x0000017C565B3B90, 16 bytes long.
 Data: < ^YV|           > 18 5E 59 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{272} normal block at 0x0000017C565B36E0, 16 bytes long.
 Data: <&#240;]YV|           > F0 5D 59 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{271} normal block at 0x0000017C565B2D80, 16 bytes long.
 Data: <&#200;]YV|           > C8 5D 59 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{270} normal block at 0x0000017C565AC2C0, 32 bytes long.
 Data: <CUDA_DEVICE=0 PU> 43 55 44 41 5F 44 45 56 49 43 45 3D 30 00 50 55 
{269} normal block at 0x0000017C565B3910, 16 bytes long.
 Data: <&#160;]YV|           > A0 5D 59 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{268} normal block at 0x0000017C56595DA0, 320 bytes long.
 Data: < 9[V|   &#192;&#194;ZV|   > 10 39 5B 56 7C 01 00 00 C0 C2 5A 56 7C 01 00 00 
{267} normal block at 0x0000017C565B3780, 16 bytes long.
 Data: <&#144;>[V|           > 90 3E 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{266} normal block at 0x0000017C565B2C90, 16 bytes long.
 Data: <h>[V|           > 68 3E 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{265} normal block at 0x0000017C565AB8A0, 32 bytes long.
 Data: <C:/Windows/syste> 43 3A 2F 57 69 6E 64 6F 77 73 2F 73 79 73 74 65 
{264} normal block at 0x0000017C565B30A0, 16 bytes long.
 Data: <@>[V|           > 40 3E 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{263} normal block at 0x0000017C565AC560, 32 bytes long.
 Data: <xjvf input.tar.b> 78 6A 76 66 20 69 6E 70 75 74 2E 74 61 72 2E 62 
{262} normal block at 0x0000017C565B2E70, 16 bytes long.
 Data: < =[V|           > 88 3D 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{261} normal block at 0x0000017C565B32D0, 16 bytes long.
 Data: <`=[V|           > 60 3D 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{260} normal block at 0x0000017C565B3050, 16 bytes long.
 Data: <8=[V|           > 38 3D 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{259} normal block at 0x0000017C565B34B0, 16 bytes long.
 Data: < =[V|           > 10 3D 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{258} normal block at 0x0000017C565B3690, 16 bytes long.
 Data: <&#232;<[V|           > E8 3C 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{257} normal block at 0x0000017C565B3190, 16 bytes long.
 Data: <&#192;<[V|           > C0 3C 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{255} normal block at 0x0000017C565B3B40, 16 bytes long.
 Data: <  [V|           > 00 12 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{254} normal block at 0x0000017C565B1200, 40 bytes long.
 Data: <@;[V|   @ [V|   > 40 3B 5B 56 7C 01 00 00 40 10 5B 56 7C 01 00 00 
{253} normal block at 0x0000017C565B37D0, 16 bytes long.
 Data: <&#160;<[V|           > A0 3C 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{252} normal block at 0x0000017C565B2CE0, 16 bytes long.
 Data: <x<[V|           > 78 3C 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{251} normal block at 0x0000017C565AC3E0, 32 bytes long.
 Data: <Library/usr/bin/> 4C 69 62 72 61 72 79 2F 75 73 72 2F 62 69 6E 2F 
{250} normal block at 0x0000017C565B38C0, 16 bytes long.
 Data: <P<[V|           > 50 3C 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{249} normal block at 0x0000017C565B3C50, 992 bytes long.
 Data: <&#192;8[V|   &#224;&#195;ZV|   > C0 38 5B 56 7C 01 00 00 E0 C3 5A 56 7C 01 00 00 
{85} normal block at 0x0000017C565AC200, 32 bytes long.
 Data: <windows_x86_64__> 77 69 6E 64 6F 77 73 5F 78 38 36 5F 36 34 5F 5F 
{84} normal block at 0x0000017C565A6C30, 16 bytes long.
 Data: <&#160; [V|           > A0 14 5B 56 7C 01 00 00 00 00 00 00 00 00 00 00 
{83} normal block at 0x0000017C565B14A0, 40 bytes long.
 Data: <0lZV|    &#194;ZV|   > 30 6C 5A 56 7C 01 00 00 00 C2 5A 56 7C 01 00 00 
{62} normal block at 0x0000017C565A7220, 16 bytes long.
 Data: <&#128;&#234;&#241;&#226;&#246;           > 80 EA F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{61} normal block at 0x0000017C565A6AF0, 16 bytes long.
 Data: <@&#233;&#241;&#226;&#246;           > 40 E9 F1 E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{60} normal block at 0x0000017C565A6CD0, 16 bytes long.
 Data: <&#248;W&#238;&#226;&#246;           > F8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{59} normal block at 0x0000017C565A7590, 16 bytes long.
 Data: <&#216;W&#238;&#226;&#246;           > D8 57 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{58} normal block at 0x0000017C565A7540, 16 bytes long.
 Data: <P &#238;&#226;&#246;           > 50 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{57} normal block at 0x0000017C565A7130, 16 bytes long.
 Data: <0 &#238;&#226;&#246;           > 30 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{56} normal block at 0x0000017C565A74F0, 16 bytes long.
 Data: <&#224; &#238;&#226;&#246;           > E0 02 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{55} normal block at 0x0000017C565A76D0, 16 bytes long.
 Data: <  &#238;&#226;&#246;           > 10 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{54} normal block at 0x0000017C565A7310, 16 bytes long.
 Data: <p &#238;&#226;&#246;           > 70 04 EE E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
{53} normal block at 0x0000017C565A6BE0, 16 bytes long.
 Data: < &#192;&#236;&#226;&#246;           > 18 C0 EC E2 F6 7F 00 00 00 00 00 00 00 00 00 00 
Object dump complete.

</stderr_txt>
]]>


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